SCHEMBL22454530

SCHEMBL22454530

COc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
CACNA1B Q00975 1/20 0.46
MDM2 Q00987 2/20 0.44
POLB P06746 1/20 0.43
PTPN1 P18031 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29633732 1.00 MDM4 (0.47) MDM4TP53CACNA1BMDM2POLB
SCHEMBL28741610 0.91 MDM4 (0.46) MDM4TP53CACNA1BMDM2
SCHEMBL1822728 0.89 CASP3 (0.44) MDM4TP53MDM2PTPN1
SCHEMBL29633677 0.89 MDM4 (0.46) MDM4TP53MDM2POLBPTPN1
SCHEMBL3230219 0.88 MDM2 (0.53) MDM4TP53MDM2POLBPTPN1
SCHEMBL30229489 0.88 MDM2 (0.53) MDM4TP53MDM2POLBPTPN1
SCHEMBL799782 0.88 MDM2 (0.53) MDM4TP53MDM2POLBPTPN1
SCHEMBL3728111 0.88 MDM2 (0.53) MDM4TP53MDM2POLBPTPN1
SCHEMBL29633938 0.88 MDM4 (0.47) MDM4TP53MDM2
SCHEMBL28741504 0.88 MDM4 (0.52) MDM4TP53MDM2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR MDM4 381/4885TP53 1369/4885CACNA1B 3612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.